2'-Fluoro-5'-methylacetophenone

Base Information

• Chemical Name: 2'-Fluoro-5'-methylacetophenone
• CAS No.: 446-07-1
• Molecular Formula: C9H9 F O
• Molecular Weight: 152.168
• Hs Code.: 2914700090
• European Community (EC) Number: 670-256-1
• DSSTox Substance ID: DTXSID30372020
• Wikidata: Q72474307
• Mol file: 446-07-1.mol

Synonyms:2'-Fluoro-5'-methylacetophenone;446-07-1;1-(2-fluoro-5-methylphenyl)ethanone;Ethanone, 1-(2-fluoro-5-methylphenyl)-;1-(2-fluoro-5-methylphenyl)ethan-1-one;2-FLUORO-5-METHYLACETOPHENONE;SCHEMBL765931;DTXSID30372020;DNDPUIGGUBKRQB-UHFFFAOYSA-N;-(2-fluoro-5-methylphenyl)ethanone;CK1152;MFCD00236680;AKOS000299227;PS-8919;CS-0186225;FT-0632140;2'-Fluoro-5'-methylacetophenone, AldrichCPR;EN300-85844;A19712;Z1020765768

Chemical Property of 2'-Fluoro-5'-methylacetophenone

Chemical Property:

• Refractive Index: 1.509
• Boiling Point: 212.701 °C at 760 mmHg
• Flash Point: 81.12 °C
• PSA: 17.07000
• Density: 1.076 g/cm³
• LogP: 2.33670
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.063743068
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

99%, ^*data from raw suppliers

2''-Fluoro-5''-methylacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)F)C(=O)C

Technology Process of 2'-Fluoro-5'-methylacetophenone

There total 4 articles about 2'-Fluoro-5'-methylacetophenone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%

3-Methylacetophenone (585-74-0) → 1-(2-fluoro-5-methylphenyl)ethan-1-one (446-07-1)

Guidance literature:

With palladium diacetate; silver nitrate; N-fluorobis(benzenesulfon)imide; methyl carbamate; In dichloromethane; at 95 ℃; for 12h; Sealed tube;

DOI:10.1039/d1cc01047f

Reference yield:

p-fluorotoluene (352-32-9) + acetyl chloride (75-36-5) → 1-(2-fluoro-5-methylphenyl)ethan-1-one (446-07-1)

Guidance literature:

With aluminium trichloride;

DOI:10.1039/jr9530000386

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + aluminium trichloride (7446-70-0) + p-fluorotoluene (352-32-9) + acetyl chloride (75-36-5) → 1-(2-fluoro-5-methylphenyl)ethan-1-one (446-07-1)

Guidance literature:

DOI:10.1039/jr9530000386

upstream raw materials:

p-fluorotoluene

acetyl chloride

carbon disulfide

aluminium trichloride

Downstream raw materials:

2-(2-fluoro-5-methyl-phenyl)-6-methyl-quinoline-4-carboxylic acid

1-(2-fluoro-5-methylphenyl)-3-hydroxy-1-butanone

5-fluoro-N-[4-(2-fluoro-5-methyl-phenyl)-thiazol-2-yl]-2-methyl-benzenesulfonamide

4-fluoro-N-[4-(2-fluoro-5-methyl-phenyl)-thiazol-2-yl]-benzenesulfonamide

Refernces

• 1、 Joshi, Krishna C.,Dubey, Kalpana,Dandia, Anshu. "FLUORINE CONTAINING BIOACTIVE HETEROCYCLES PART III : SYNTHESIS OF SOME NEW FLUORINE CONTAINING PHENYLGLYOXALS AND 1,2,4-TRIAZINE DERIVATIVES". . p. 1545 - 1553. Retrieved 2007/10/02.